Structural Complex
Chemical ID: B0S
IUPAC Name: tridecylboronic acid
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C13 H29 B O2
Molecular weight: 228.179
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
ACDLabs 12.01 tridecylboronic acid
OpenEye OEToolkits 1.7.6 tridecylboronic acid
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 OB(O)CCCCCCCCCCCCC
InChI InChI 1.03 InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3
InChIKey InChI 1.03 IBKXABQGVIIFFS-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 CCCCCCCCCCCCCB(O)O
SMILES CACTVS 3.385 CCCCCCCCCCCCCB(O)O
SMILES_CANONICAL OpenEye OEToolkits 1.7.6 B(CCCCCCCCCCCCC)(O)O
SMILES OpenEye OEToolkits 1.7.6 B(CCCCCCCCCCCCC)(O)O
Chemical Database Mapping
Database Reference ID
ChEMBL CHEMBL1966359
PubChem 368422
SureChEMBL 28463538
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